Chemical ID: 7460742

COc1ccc(cc1OC)c2c([nH]nc2N)c3ccccc3
Chemical ID:
7460742
Name [?]:
4-(3,4-dimethoxyphenyl)-5-phenyl-1H-pyrazol-3-amine
SMILES [?]:
COc1ccc(cc1OC)c2c([nH]nc2N)c3ccccc3
InChi [?]:
InChI=1/C17H17N3O2/c1-21-13-9-8-12(10-14(13)22-2)15-16(19-20-17(15)18)11-6-4-3-5-7-11/h3-10H,1-2H3,(H3,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,10,20,19,21,18,22,5,4,7,17,6,3,8,11,12,15,16,13,14,2,9/E:(4,5)(6,7)/rA:22nCOCCCCCCOCCCNNCNCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s12;s13;s11d14;s15;s12;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17N3O2
All Atoms:39
Heavy Atoms:22
Chiral Atoms:None
ZAP Information [?]
Total:6.98533
Area:485.599
Solvation:-5.15464
Coulombic:-42.5793
Bond Count [?]
All:24
Single:16
Double:8
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.67
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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